기본 정보
- CAS
73231-34-2- 표준 SMILES
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1- InChIKey
AYIRNRDRBQJXIF-NXEZZACHSA-N- 분자식
- C12H14Cl2FNO4S
- 평균 분자량
- 358.2 g/mol
- 단동위원소 질량
- 357.00046251
개요
Florfenicol is a carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture. It has a role as an antimicrobial agent. It is a secondary carboxamide, a secondary alcohol, a sulfone, an organochlorine compound and an organofluorine compound. It is functionally related to a dichloroacetic acid.
이름 및 식별자
- 우선 이름
- Florfenicol
- IUPAC
- 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
- 영어명
- FLORFENICOL
- 분자식
- C12H14Cl2FNO4S
- 분자량
- 358.21
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
73231-34-2、76639-94-6- PubChem CID
- 114811
- DTXSID
DTXSID9045500- ChEMBL
CHEMBL1241590- ChEBI
CHEBI:87185- UNII
- 9J97307Y1H
- EC Number
- 620-107-1、642-986-0
- Nikkaji
- J128.612I
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 91.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 447
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Antibiotics (Amphenicols)
Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use
Animal Drugs
Active Ingredients (Florfenicol) -> FDA Greenbook
Pharmaceuticals -> UK Veterinary Medicines Directorate List
Collision Cross Section
170.7 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
169.78 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
170.95 Ų [M+Na]+
물리화학적 성질
- 녹는점
- 153 °C · 153°C
- 물리적 상태
- 고체
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4% (4 of 101) of reports.
Danger
H361 (92.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P264, P270, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 101 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (50%)
Repr. 2 (92.1%)
안전 데이터
- wgk
- 3
- HS 번호
- 29419090
- safety_code
- 24/25
화학 및 산업
약리 정보
ATC Code
QJ - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
용도 및 제조
응용 분야
용도anticholinergic, antiparkinsonian
공급사100 곳
관련 반응
화합물 노트
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